Natural Product: NPC146188

Natural Product ID:  NPC146188
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O5
Standard InCHIKey:  ZLMMCVKSRGCZAX-IXHJRKEVSA-N
Standard InCHI:  InChI=1S/C32H48O5/c1-17(33)35-26-32-14-10-18-29(6,20(32)15-27(2,3)22(16-32)36-26)12-9-19-30(7)13-11-21(34)28(4,5)24(30)23-25(37-23)31(18,19)8/h10,19-26,34H,9,11-16H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,26+,29-,30-,31+,32-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1O[C@H]2C[C@]31CC=C1[C@@]([C@@H]3CC2(C)C)(C)CC[C@H]2[C@@]1(C)[C@@H]1O[C@@H]1[C@@H]1[C@]2(C)CC[C@H](C1(C)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO29436 Vepris punctata Species Rutaceae Eukaryota wood Madagascar Rainforest PMID[15165160]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 21.5 ug/ml 23153007

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC146188 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8776 High Similarity NPC228251
0.8776 High Similarity NPC477972
0.8776 High Similarity NPC219285
0.8776 High Similarity NPC477971
0.8776 High Similarity NPC161527
0.8776 High Similarity NPC20113
0.8776 High Similarity NPC477968
0.8614 High Similarity NPC173583
0.8495 Intermediate Similarity NPC137306
0.8495 Intermediate Similarity NPC84121
0.8469 Intermediate Similarity NPC8954
0.8469 Intermediate Similarity NPC94905
0.8431 Intermediate Similarity NPC470061
0.8431 Intermediate Similarity NPC470058
0.8431 Intermediate Similarity NPC470059
0.8431 Intermediate Similarity NPC470060
0.8431 Intermediate Similarity NPC470064
0.8431 Intermediate Similarity NPC470062
0.8431 Intermediate Similarity NPC470057
0.8431 Intermediate Similarity NPC470043
0.84 Intermediate Similarity NPC473790
0.8387 Intermediate Similarity NPC191965
0.8381 Intermediate Similarity NPC274507
0.8367 Intermediate Similarity NPC100892
0.8367 Intermediate Similarity NPC477969
0.8367 Intermediate Similarity NPC135224
0.8367 Intermediate Similarity NPC477970
0.835 Intermediate Similarity NPC470055
0.835 Intermediate Similarity NPC470056
0.8333 Intermediate Similarity NPC471432
0.8333 Intermediate Similarity NPC471433
0.8318 Intermediate Similarity NPC144068
0.8302 Intermediate Similarity NPC473481
0.8302 Intermediate Similarity NPC211798
0.8302 Intermediate Similarity NPC235841
0.8302 Intermediate Similarity NPC297208
0.8302 Intermediate Similarity NPC30397
0.8302 Intermediate Similarity NPC108748
0.8302 Intermediate Similarity NPC191763
0.8302 Intermediate Similarity NPC114188
0.83 Intermediate Similarity NPC475876
0.83 Intermediate Similarity NPC260149
0.83 Intermediate Similarity NPC477928
0.83 Intermediate Similarity NPC58942
0.8286 Intermediate Similarity NPC57362
0.8286 Intermediate Similarity NPC237503
0.8286 Intermediate Similarity NPC204407
0.8286 Intermediate Similarity NPC167383
0.8286 Intermediate Similarity NPC306746
0.8283 Intermediate Similarity NPC304899
0.8283 Intermediate Similarity NPC253115
0.8269 Intermediate Similarity NPC473538
0.8269 Intermediate Similarity NPC283849
0.8269 Intermediate Similarity NPC234160
0.8269 Intermediate Similarity NPC78034
0.8265 Intermediate Similarity NPC189513
0.8252 Intermediate Similarity NPC31430
0.8252 Intermediate Similarity NPC85593
0.8224 Intermediate Similarity NPC46388
0.8224 Intermediate Similarity NPC37739
0.8224 Intermediate Similarity NPC473125
0.8224 Intermediate Similarity NPC128925
0.8224 Intermediate Similarity NPC256798
0.8224 Intermediate Similarity NPC116794
0.8218 Intermediate Similarity NPC476195
0.8208 Intermediate Similarity NPC75747
0.8208 Intermediate Similarity NPC164194
0.8208 Intermediate Similarity NPC279554
0.8208 Intermediate Similarity NPC476883
0.8208 Intermediate Similarity NPC56713
0.8208 Intermediate Similarity NPC136877
0.8208 Intermediate Similarity NPC476887
0.8208 Intermediate Similarity NPC102914
0.8208 Intermediate Similarity NPC68419
0.8208 Intermediate Similarity NPC270667
0.8208 Intermediate Similarity NPC7870
0.8208 Intermediate Similarity NPC476881
0.8208 Intermediate Similarity NPC476884
0.8208 Intermediate Similarity NPC59804
0.8208 Intermediate Similarity NPC90856
0.8208 Intermediate Similarity NPC174679
0.8208 Intermediate Similarity NPC108709
0.8208 Intermediate Similarity NPC110139
0.8208 Intermediate Similarity NPC475296
0.8208 Intermediate Similarity NPC476886
0.8208 Intermediate Similarity NPC476880
0.8208 Intermediate Similarity NPC29069
0.8208 Intermediate Similarity NPC199457
0.8208 Intermediate Similarity NPC476882
0.8208 Intermediate Similarity NPC127056
0.8208 Intermediate Similarity NPC476885
0.8208 Intermediate Similarity NPC474589
0.82 Intermediate Similarity NPC158347
0.82 Intermediate Similarity NPC97867
0.819 Intermediate Similarity NPC476123
0.819 Intermediate Similarity NPC284807
0.819 Intermediate Similarity NPC38217
0.819 Intermediate Similarity NPC285576
0.819 Intermediate Similarity NPC177246
0.819 Intermediate Similarity NPC28198
0.819 Intermediate Similarity NPC472988
0.8182 Intermediate Similarity NPC286612
0.8182 Intermediate Similarity NPC230347
0.8182 Intermediate Similarity NPC275310
0.8182 Intermediate Similarity NPC474727
0.8173 Intermediate Similarity NPC473199
0.8173 Intermediate Similarity NPC475611
0.8172 Intermediate Similarity NPC132386
0.8165 Intermediate Similarity NPC212660
0.8152 Intermediate Similarity NPC116202
0.8148 Intermediate Similarity NPC269315
0.8148 Intermediate Similarity NPC189884
0.8148 Intermediate Similarity NPC204458
0.8148 Intermediate Similarity NPC124296
0.8148 Intermediate Similarity NPC47063
0.8148 Intermediate Similarity NPC258885
0.8148 Intermediate Similarity NPC290608
0.8148 Intermediate Similarity NPC44298
0.8148 Intermediate Similarity NPC40133
0.8148 Intermediate Similarity NPC49413
0.8148 Intermediate Similarity NPC473128
0.8148 Intermediate Similarity NPC271138
0.8148 Intermediate Similarity NPC138334
0.8137 Intermediate Similarity NPC263756
0.8137 Intermediate Similarity NPC117714
0.8137 Intermediate Similarity NPC476132
0.8137 Intermediate Similarity NPC470054
0.8131 Intermediate Similarity NPC164419
0.8131 Intermediate Similarity NPC179434
0.8131 Intermediate Similarity NPC31839
0.8131 Intermediate Similarity NPC190837
0.8125 Intermediate Similarity NPC263079
0.8119 Intermediate Similarity NPC477876
0.8119 Intermediate Similarity NPC477875
0.8113 Intermediate Similarity NPC43976
0.8113 Intermediate Similarity NPC51925
0.8113 Intermediate Similarity NPC127853
0.8113 Intermediate Similarity NPC296761
0.8113 Intermediate Similarity NPC125361
0.8113 Intermediate Similarity NPC137917
0.8113 Intermediate Similarity NPC154085
0.8108 Intermediate Similarity NPC470914
0.81 Intermediate Similarity NPC327179
0.8081 Intermediate Similarity NPC211238
0.8077 Intermediate Similarity NPC222161
0.8077 Intermediate Similarity NPC470768
0.8073 Intermediate Similarity NPC475633
0.8065 Intermediate Similarity NPC286786
0.8061 Intermediate Similarity NPC120539
0.8061 Intermediate Similarity NPC470590
0.8061 Intermediate Similarity NPC285184
0.8061 Intermediate Similarity NPC77099
0.8061 Intermediate Similarity NPC60755
0.8058 Intermediate Similarity NPC238397
0.8058 Intermediate Similarity NPC256133
0.8058 Intermediate Similarity NPC471363
0.8058 Intermediate Similarity NPC76497
0.8058 Intermediate Similarity NPC470053
0.8058 Intermediate Similarity NPC154452
0.8058 Intermediate Similarity NPC30289
0.8058 Intermediate Similarity NPC213674
0.8056 Intermediate Similarity NPC125923
0.8056 Intermediate Similarity NPC469946
0.8056 Intermediate Similarity NPC109079
0.8056 Intermediate Similarity NPC101744
0.8056 Intermediate Similarity NPC324875
0.8056 Intermediate Similarity NPC292677
0.8056 Intermediate Similarity NPC104071
0.8056 Intermediate Similarity NPC161434
0.8056 Intermediate Similarity NPC80843
0.8056 Intermediate Similarity NPC473373
0.8056 Intermediate Similarity NPC139044
0.8056 Intermediate Similarity NPC64106
0.8056 Intermediate Similarity NPC212968
0.8056 Intermediate Similarity NPC195132
0.8056 Intermediate Similarity NPC471383
0.8056 Intermediate Similarity NPC257468
0.8056 Intermediate Similarity NPC473383
0.8056 Intermediate Similarity NPC475516
0.8056 Intermediate Similarity NPC65590
0.8056 Intermediate Similarity NPC79718
0.8056 Intermediate Similarity NPC104400
0.8056 Intermediate Similarity NPC471967
0.8056 Intermediate Similarity NPC1046
0.8056 Intermediate Similarity NPC10320
0.8056 Intermediate Similarity NPC102439
0.8056 Intermediate Similarity NPC276093
0.8056 Intermediate Similarity NPC48249
0.8056 Intermediate Similarity NPC139894
0.8056 Intermediate Similarity NPC475504
0.8041 Intermediate Similarity NPC30522
0.8039 Intermediate Similarity NPC208358
0.8039 Intermediate Similarity NPC474571
0.8039 Intermediate Similarity NPC282669
0.8039 Intermediate Similarity NPC254567
0.8039 Intermediate Similarity NPC324598
0.8037 Intermediate Similarity NPC269095
0.8037 Intermediate Similarity NPC220984
0.8037 Intermediate Similarity NPC78046
0.8037 Intermediate Similarity NPC242611

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC146188 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7723 Intermediate Similarity NPD7748 Approved
0.767 Intermediate Similarity NPD7902 Approved
0.7615 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD7645 Phase 2
0.7525 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD8033 Approved
0.7414 Intermediate Similarity NPD8294 Approved
0.7414 Intermediate Similarity NPD8377 Approved
0.7379 Intermediate Similarity NPD7900 Approved
0.7379 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD8328 Phase 3
0.735 Intermediate Similarity NPD8379 Approved
0.735 Intermediate Similarity NPD8380 Approved
0.735 Intermediate Similarity NPD8296 Approved
0.735 Intermediate Similarity NPD8378 Approved
0.735 Intermediate Similarity NPD8335 Approved
0.7264 Intermediate Similarity NPD7638 Approved
0.7241 Intermediate Similarity NPD7328 Approved
0.7241 Intermediate Similarity NPD7327 Approved
0.7196 Intermediate Similarity NPD7639 Approved
0.7196 Intermediate Similarity NPD7640 Approved
0.7184 Intermediate Similarity NPD8035 Phase 2
0.7184 Intermediate Similarity NPD8034 Phase 2
0.7179 Intermediate Similarity NPD7516 Approved
0.7131 Intermediate Similarity NPD7736 Approved
0.7117 Intermediate Similarity NPD6412 Phase 2
0.7115 Intermediate Similarity NPD6399 Phase 3
0.7113 Intermediate Similarity NPD7525 Registered
0.7059 Intermediate Similarity NPD7503 Approved
0.7043 Intermediate Similarity NPD8133 Approved
0.6931 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6911 Remote Similarity NPD8293 Discontinued
0.6903 Remote Similarity NPD6686 Approved
0.6875 Remote Similarity NPD6008 Approved
0.6829 Remote Similarity NPD7507 Approved
0.681 Remote Similarity NPD6882 Approved
0.6771 Remote Similarity NPD6942 Approved
0.6771 Remote Similarity NPD7339 Approved
0.6757 Remote Similarity NPD7632 Discontinued
0.6726 Remote Similarity NPD6402 Approved
0.6726 Remote Similarity NPD5739 Approved
0.6726 Remote Similarity NPD6675 Approved
0.6726 Remote Similarity NPD7128 Approved
0.6721 Remote Similarity NPD6370 Approved
0.6701 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6067 Discontinued
0.6639 Remote Similarity NPD8516 Approved
0.6639 Remote Similarity NPD8515 Approved
0.6639 Remote Similarity NPD8513 Phase 3
0.6639 Remote Similarity NPD8517 Approved
0.6636 Remote Similarity NPD4225 Approved
0.6636 Remote Similarity NPD8171 Discontinued
0.6634 Remote Similarity NPD3667 Approved
0.6613 Remote Similarity NPD7492 Approved
0.6609 Remote Similarity NPD7320 Approved
0.6609 Remote Similarity NPD6899 Approved
0.6609 Remote Similarity NPD6881 Approved
0.66 Remote Similarity NPD6928 Phase 2
0.6583 Remote Similarity NPD7115 Discovery
0.6583 Remote Similarity NPD6009 Approved
0.6581 Remote Similarity NPD8130 Phase 1
0.6571 Remote Similarity NPD7513 Clinical (unspecified phase)
0.656 Remote Similarity NPD6616 Approved
0.6557 Remote Similarity NPD6054 Approved
0.6557 Remote Similarity NPD6059 Approved
0.6552 Remote Similarity NPD6373 Approved
0.6552 Remote Similarity NPD6372 Approved
0.6538 Remote Similarity NPD3618 Phase 1
0.6525 Remote Similarity NPD8297 Approved
0.6522 Remote Similarity NPD5697 Approved
0.6522 Remote Similarity NPD5701 Approved
0.6509 Remote Similarity NPD5328 Approved
0.6509 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6508 Remote Similarity NPD7078 Approved
0.6505 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7102 Approved
0.6496 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7290 Approved
0.6496 Remote Similarity NPD6883 Approved
0.6466 Remote Similarity NPD6011 Approved
0.6441 Remote Similarity NPD6649 Approved
0.6441 Remote Similarity NPD6869 Approved
0.6441 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6441 Remote Similarity NPD6650 Approved
0.6441 Remote Similarity NPD6617 Approved
0.6441 Remote Similarity NPD6847 Approved
0.641 Remote Similarity NPD6013 Approved
0.641 Remote Similarity NPD6014 Approved
0.641 Remote Similarity NPD6012 Approved
0.6408 Remote Similarity NPD6695 Phase 3
0.64 Remote Similarity NPD6114 Approved
0.64 Remote Similarity NPD6115 Approved
0.64 Remote Similarity NPD6118 Approved
0.64 Remote Similarity NPD6697 Approved
0.6396 Remote Similarity NPD6083 Phase 2
0.6396 Remote Similarity NPD6084 Phase 2
0.6389 Remote Similarity NPD7637 Suspended
0.6389 Remote Similarity NPD6079 Approved
0.6389 Remote Similarity NPD6411 Approved
0.6381 Remote Similarity NPD6684 Approved
0.6381 Remote Similarity NPD7146 Approved
0.6381 Remote Similarity NPD7521 Approved
0.6381 Remote Similarity NPD6409 Approved
0.6381 Remote Similarity NPD7334 Approved
0.6381 Remote Similarity NPD5330 Approved
0.6372 Remote Similarity NPD5344 Discontinued
0.6371 Remote Similarity NPD6016 Approved
0.6371 Remote Similarity NPD6015 Approved
0.6364 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6051 Approved
0.6348 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4632 Approved
0.633 Remote Similarity NPD4202 Approved
0.6321 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7750 Discontinued
0.632 Remote Similarity NPD5988 Approved
0.63 Remote Similarity NPD6116 Phase 1
0.627 Remote Similarity NPD7604 Phase 2
0.6262 Remote Similarity NPD6672 Approved
0.6262 Remote Similarity NPD5737 Approved
0.6262 Remote Similarity NPD6903 Approved
0.626 Remote Similarity NPD8449 Approved
0.625 Remote Similarity NPD4755 Approved
0.6239 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6212 Remote Similarity NPD8450 Suspended
0.6204 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6101 Approved
0.6202 Remote Similarity NPD6033 Approved
0.62 Remote Similarity NPD6117 Approved
0.619 Remote Similarity NPD3668 Phase 3
0.619 Remote Similarity NPD3665 Phase 1
0.619 Remote Similarity NPD3666 Approved
0.619 Remote Similarity NPD3133 Approved
0.6182 Remote Similarity NPD5779 Approved
0.6182 Remote Similarity NPD5778 Approved
0.6176 Remote Similarity NPD6929 Approved
0.6168 Remote Similarity NPD3573 Approved
0.6168 Remote Similarity NPD7524 Approved
0.6167 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6162 Remote Similarity NPD6926 Approved
0.6162 Remote Similarity NPD6924 Approved
0.6161 Remote Similarity NPD4697 Phase 3
0.6161 Remote Similarity NPD5221 Approved
0.6161 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6161 Remote Similarity NPD5222 Approved
0.616 Remote Similarity NPD6319 Approved
0.6147 Remote Similarity NPD3168 Discontinued
0.614 Remote Similarity NPD4700 Approved
0.614 Remote Similarity NPD5285 Approved
0.614 Remote Similarity NPD6648 Approved
0.614 Remote Similarity NPD5286 Approved
0.614 Remote Similarity NPD4696 Approved
0.6129 Remote Similarity NPD6335 Approved
0.6117 Remote Similarity NPD6931 Approved
0.6117 Remote Similarity NPD6930 Phase 2
0.6117 Remote Similarity NPD7509 Discontinued
0.6117 Remote Similarity NPD4748 Discontinued
0.6111 Remote Similarity NPD5983 Phase 2
0.6106 Remote Similarity NPD5173 Approved
0.61 Remote Similarity NPD8264 Approved
0.6098 Remote Similarity NPD6274 Approved
0.6098 Remote Similarity NPD6868 Approved
0.6087 Remote Similarity NPD5223 Approved
0.608 Remote Similarity NPD7101 Approved
0.608 Remote Similarity NPD7100 Approved
0.6071 Remote Similarity NPD5695 Phase 3
0.6053 Remote Similarity NPD5696 Approved
0.605 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6048 Remote Similarity NPD6317 Approved
0.6047 Remote Similarity NPD6336 Discontinued
0.604 Remote Similarity NPD6933 Approved
0.6034 Remote Similarity NPD5226 Approved
0.6034 Remote Similarity NPD5211 Phase 2
0.6034 Remote Similarity NPD4633 Approved
0.6034 Remote Similarity NPD5224 Approved
0.6034 Remote Similarity NPD5225 Approved
0.6028 Remote Similarity NPD7625 Phase 1
0.6018 Remote Similarity NPD7614 Phase 1
0.6018 Remote Similarity NPD7732 Phase 3
0.6 Remote Similarity NPD7838 Discovery
0.6 Remote Similarity NPD4784 Approved
0.6 Remote Similarity NPD6314 Approved
0.6 Remote Similarity NPD4785 Approved
0.6 Remote Similarity NPD6313 Approved
0.6 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6909 Approved
0.5984 Remote Similarity NPD6908 Approved
0.5984 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5983 Remote Similarity NPD4754 Approved
0.5983 Remote Similarity NPD5174 Approved
0.5983 Remote Similarity NPD5175 Approved
0.5982 Remote Similarity NPD6001 Approved
0.5981 Remote Similarity NPD1694 Approved
0.598 Remote Similarity NPD5776 Phase 2
0.598 Remote Similarity NPD6925 Approved

Structure

External Identifiers

PubChem CID   44559541
ChEMBL   CHEMBL498877
ZINC  

Physicochemical Properties

Molecular Weight:  512.35
ALogP:  2.0328
MLogP:  4.43
XLogP:  5.784
# Rotatable Bonds:  11
Polar Surface Area:  68.29
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  37

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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